Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.52 |
| ▸ | ESR1 | P03372 | 6/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 4/20 | 0.48 |
| ▸ | CES1 | P23141 | 4/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | PGR | P06401 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23641321 | 0.94 | ESR1 (0.50) | PTGS2ESR1ESR2CYP19A1CES2 | |
| SCHEMBL9310275 | 0.94 | ESR1 (0.50) | PTGS2ESR1ESR2CYP19A1CES2 | |
| SCHEMBL9310063 | 0.89 | ESR1 (0.58) | PTGS2ESR1ESR2CYP19A1CES2 | |
| SCHEMBL585024 | 0.84 | ESR1 (0.55) | PTGS2ESR1ESR2CYP19A1CES2 | |
| SCHEMBL9310269 | 0.83 | ESR1 (0.56) | PTGS2ESR1ESR2CYP19A1CES2 | |
| SCHEMBL4326009 | 0.81 | ESR1 (0.64) | PTGS2ESR1ESR2CYP19A1CES2 | |
| SCHEMBL3314631 | 0.81 | ESR1 (0.61) | PTGS2ESR1ESR2CYP19A1CES2 | |
| SCHEMBL8596721 | 0.81 | ESR1 (0.61) | PTGS2ESR1ESR2CYP19A1CES2 | |
| Hydrochloric Acid SCHEMBL28664967 | 0.80 | ESR1 (0.52) | PTGS2ESR1ESR2CYP19A1CES2 | |
| SCHEMBL13069366 | 0.79 | ESR1 (0.49) | PTGS2ESR1ESR2CYP19A1CES2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5326489-A | Sulfonated polymer | NIPPON SHOKUBAI CO., LTD. (JP) | 1994-07-05 | — | — | US | disclosed |
| EP-0523300-B1 | Electrorheological fluids | NIPPON CATALYTIC CHEM IND (JP) | 1994-01-19 | — | — | EP | disclosed |
| EP-0523300-A1 | Electrorheological fluids | NIPPON SHOKUBAI KAGAKU KOGYO CO. LTD. (JP) | 1993-01-20 | — | — | EP | disclosed |